1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one

C16H26N4O3 — CID 149271372

IUPAC1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
SMILESCC1Cn2ncc(N3CCCC3=O)c2CN1C(O)OC(C)(C)C
InChIInChI=1S/C16H26N4O3/c1-11-9-20-13(10-19(11)15(22)23-16(2,3)4)12(8-17-20)18-7-5-6-14(18)21/h8,11,15,22H,5-7,9-10H2,1-4H3
InChIKeyXRDJQQZEDQZRSF-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.30
Rot. Bonds3

About 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one

1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one (PubChem CID 149271372) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
PubChem CID149271372
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
SMILESCC1Cn2ncc(N3CCCC3=O)c2CN1C(O)OC(C)(C)C
InChIInChI=1S/C16H26N4O3/c1-11-9-20-13(10-19(11)15(22)23-16(2,3)4)12(8-17-20)18-7-5-6-14(18)21/h8,11,15,22H,5-7,9-10H2,1-4H3
InChIKeyXRDJQQZEDQZRSF-UHFFFAOYSA-N
XLogP1.30
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one (CID 149271372) is 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one is CC1Cn2ncc(N3CCCC3=O)c2CN1C(O)OC(C)(C)C.
What is the InChIKey of 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
The InChIKey is XRDJQQZEDQZRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11-9-20-13(10-19(11)15(22)23-16(2,3)4)12(8-17-20)18-7-5-6-14(18)21/h8,11,15,22H,5-7,9-10H2,1-4H3.
What are the key properties of 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one has a molecular weight of 322.41 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 149271372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).